ethanedioic acid; 1-[(2-fluorophenyl)methyl]-4-(phenylsulfonyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(2-fluorophenyl)methyl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[(2-fluorophenyl)methyl]piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-[(2-fluorophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(2-fluorophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-besyl-4-(2-fluorobenzyl)piperazine; oxalic acid Formula: C19H21FN2O6S MolecularWeight: 424.443243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19FN2O2S.C2H2O4/c18-17-9-5-4-6-15(17)14-19-10-12-20(13-11-19)23(21,22)16-7-2-1-3-8-16;3-1(4)2(5)6/h1-9H,10-14H2;(H,3,4)(H,5,6)